SCHEMBL28996151

SCHEMBL28996151

CCc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 8/20 0.62
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ CCR9 P51686 1/20 0.47
▸ KCNA5 P22460 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29191234 0.86 METAP2 (0.56) METAP2LMNAHTTPTGDR2CCR9
SCHEMBL28995988 0.86 LMNA (0.53) METAP2LMNAHTTTP53MAPT
SCHEMBL3980105 0.85 METAP2 (0.81) METAP2LMNAHTTPTGDR2KCNA5
SCHEMBL29191237 0.83 METAP2 (0.50) METAP2LMNAHTTTP53MAPT
SCHEMBL28995990 0.83 LMNA (0.67) METAP2LMNAHTTTP53MAPT
SCHEMBL28995977 0.82 HSD17B2 (0.58) METAP2LMNAHTTTP53MAPT
SCHEMBL28995980 0.81 KCNA5 (0.57) METAP2LMNAHTTTP53MAPT
SCHEMBL28995965 0.81 LMNA (0.51) METAP2LMNAHTTTP53MAPT
SCHEMBL28996025 0.81 ALDH1A1 (0.51) METAP2LMNAHTTTP53MAPT
SCHEMBL28995936 0.80 MCL1 (0.60) METAP2LMNAHTTCYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082269-B 1,3, 4-Oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-06-21 — — CN disclosed
CN-117843651-A Tetrahydrofuran [3,2-b ] indoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2024-04-09 — — CN disclosed
CN-116082269-A 1,3, 4-oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof 盐城工学院 2023-05-09 — — CN disclosed
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